SCHEMBL7925774

SCHEMBL7925774

C=[Ti](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNN4 O15554 1/20 0.37
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
PNMT P11086 1/20 0.34
SRD5A2 P31213 1/20 0.33
HSP90AA1 P07900 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7919285 0.88 NPC1 (0.35) NPC1RAB9AKCNN4HTR7HTR2B
SCHEMBL7924816 0.86 RAB9A (0.44) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7927570 0.83 NPC1 (0.40) NPC1RAB9AKCNN4HTR7HTR2B
SCHEMBL7925575 0.82 NPC1 (0.39) NPC1RAB9AKCNN4HTR7HTR2B
SCHEMBL7924688 0.81 NPC1 (0.41) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7928653 0.81 RAB9A (0.49) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7919142 0.79 RAB9A (0.44) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7928532 0.78 RAB9A (0.43) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7919474 0.78 RAB9A (0.46) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7919401 0.78 RAB9A (0.40) NPC1RAB9AHTR7HTR2BPNMT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed